(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-3-hydroxy-2-[[2-[[2-[[(2S)-1-[(2S)-1-[(2S)-5-oxopyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]acetyl]amino]propanoyl]amino]hexanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoic acid
Molecular Formula:
C54H84N12O14
InChI: InChI=1/C54H84N12O14/c1-7-32(6)45(51(76)61-36(25-30(2)3)47(72)62-37(54(79)80)26-33-15-9-8-10-16-33)64-50(75)44(31(4)5)63-46(71)34(17-11-12-22-55)60-48(73)38(29-67)59-43(70)28-56-42(69)27-57-49(74)39-18-13-23-65(39)53(78)40-19-14-24-66(40)52(77)35-20-21-41(68)58-35/h8-10,15-16,30-32,34-40,44-45,67H,7,11-14,17-29,55H2,1-6H3,(H,56,69)(H,57,74)(H,58,68)(H,59,70)(H,60,73)(H,61,76)(H,62,72)(H,63,71)(H,64,75)(H,79,80)/t32-,34-,35-,36-,37-,38-,39-,40-,44-,45-/m0/s1/f/h56-64,79H
InChIKey: InChIKey=QXXBUXBKXUHVQH-IUPDPUAIDG
SMILES: CCC(C)C(C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C(C(C)C)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)CNC(=O)CNC(=O)C2CCCN2C(=O)C3CCCN3C(=O)C4CCC(=O)N4
Names:
(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-3-hydroxy-2-[[2-[[2-[[(2S)-1-[(2S)-1-[(2S)-5-oxopyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]acetyl]amino]propanoyl]amino]hexanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoic acid
Registries:
PubChem CID 123902
PubChem ID 10240902
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